2-iodo-5-methyl-1-phenylimidazole

C10H9IN2 — CID 68852842

IUPAC2-iodo-5-methyl-1-phenylimidazole
SMILESCc1cnc(I)n1-c1ccccc1
InChIInChI=1S/C10H9IN2/c1-8-7-12-10(11)13(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyVLULXIWCYCTFGG-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.79
Rot. Bonds1

About 2-iodo-5-methyl-1-phenylimidazole

2-iodo-5-methyl-1-phenylimidazole (PubChem CID 68852842) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 2-iodo-5-methyl-1-phenylimidazole.

Molecular Properties

Compound Name2-iodo-5-methyl-1-phenylimidazole
PubChem CID68852842
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name2-iodo-5-methyl-1-phenylimidazole
SMILESCc1cnc(I)n1-c1ccccc1
InChIInChI=1S/C10H9IN2/c1-8-7-12-10(11)13(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyVLULXIWCYCTFGG-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methyl-1-phenylimidazole?
The IUPAC name of 2-iodo-5-methyl-1-phenylimidazole (CID 68852842) is 2-iodo-5-methyl-1-phenylimidazole.
What is the SMILES notation for 2-iodo-5-methyl-1-phenylimidazole?
The canonical SMILES for 2-iodo-5-methyl-1-phenylimidazole is Cc1cnc(I)n1-c1ccccc1.
What is the InChIKey of 2-iodo-5-methyl-1-phenylimidazole?
The InChIKey is VLULXIWCYCTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c1-8-7-12-10(11)13(8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-iodo-5-methyl-1-phenylimidazole?
2-iodo-5-methyl-1-phenylimidazole has a molecular weight of 284.10 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methyl-1-phenylimidazole is sourced from PubChem (CID 68852842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).